SCHEMBL7778734

SCHEMBL7778734

CC(C)CC(=O)N1C(=O)[C@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@@H]1c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 2/20 0.47
KMT2A Q03164 4/20 0.35
MEN1 O00255 2/20 0.35
ATM Q13315 1/20 0.35
ALDH1A1 P00352 2/20 0.34
MAPT P10636 2/20 0.34
HTT P42858 1/20 0.34
KDM4E B2RXH2 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
SLC25A5 P05141 1/20 0.33
GAA P10253 1/20 0.33
RIPK1 Q13546 1/20 0.32
LMNA P02545 3/20 0.32
TDP1 Q9NUW8 1/20 0.32
FAAH O00519 1/20 0.32
MAPK1 P28482 1/20 0.31
KIF11 P52732 1/20 0.31
GLA P06280 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7778739 0.89 ELANE (0.48) ELANEKMT2AMEN1ATMMAPT
SCHEMBL7779017 0.87 ELANE (0.46) ELANEKMT2AMEN1ATMCYP2C9
SCHEMBL7779915 0.87 ELANE (0.46) ELANEKMT2AMEN1CYP2C19RIPK1
SCHEMBL7776777 0.86 ELANE (0.45) ELANEKMT2AMEN1CYP2C9CYP2C19
SCHEMBL7777587 0.85 ELANE (0.47) ELANEALDH1A1KDM4EGAALMNA
SCHEMBL7779935 0.85 FAAH (0.45) ELANETDP1FAAHL3MBTL1
SCHEMBL7776803 0.85 ELANE (0.66) ELANEALDH1A1KDM4ERIPK1LMNA
SCHEMBL8746491 0.85 ELANE (0.66) ELANEALDH1A1KDM4ERIPK1LMNA
SCHEMBL7776769 0.83 ELANE (0.47) ELANEKMT2AMEN1ALDH1A1MAPT
SCHEMBL8746478 0.82 ELANE (0.49) ELANEKMT2AMEN1ALDH1A1RIPK1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0809627-B1 NOVEL BORNEOL DERIVATIVES, METHODS OF MANUFACTURING THEM, AND THEIR PHARMACEUTICAL USE SCHERING AG (DE) 2001-09-12 EP disclosed
US-6025507-A Borneol derivatives, methods of manufacturing them, and their pharmaceutical use SCHERING AKTIENGESELLSCHAFT (DE) 2000-02-15 US disclosed
EP-0809627-A1 NOVEL BORNEOL DERIVATIVES, METHODS OF MANUFACTURING THEM, AND THEIR PHARMACEUTICAL USE SCHERING AKTIENGESELLSCHAFT (DE) 1997-12-03 EP disclosed
WO-1996025392-A1 NOVEL BORNEOL DERIVATIVES, METHODS OF MANUFACTURING THEM, AND THEIR PHARMACEUTICAL USE SCHERING AKTIENGESELLSCHAFT (DE) 1996-08-22 WO disclosed